Geometry & MOs

Info

ID:	16155
PubChem CID:	460289
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-60.87
Dipole, Da:	8.24
IP(EA), eV:	-9.65(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-methylphenyl)methyl]-2-(2-methylpropoxy)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=CC(=O)N=C(N2)OCC(C)C

DOS

IR

Vibrations